# HG changeset patch
# User bgruening
# Date 1590072679 0
# Node ID 166eefe0b40e16a4210c2a54a8f61ab8e2668cc5
# Parent  3fc1eab2faa74e823da29a79830c708b3dbac54d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit dff183f4eb2d3df42917ec4fed0fbdb2ea11e19a"

diff -r 3fc1eab2faa7 -r 166eefe0b40e select_points_SDF.py
--- a/select_points_SDF.py	Mon May 04 11:38:41 2020 +0000
+++ b/select_points_SDF.py	Thu May 21 14:51:19 2020 +0000
@@ -55,7 +55,7 @@
 
 def sdfout(centers, writer):
     n = len(centers)
-    writer.write("Frankenstein_ligand\nGalaxy select_points_sdf tool\n\n")
+    writer.write("Frankenstein ligand\n00000000000000000000 3D\nCreated in Galaxy\n")
     writer.write("%3d  0  0  0  0  0  0  0  0  0999 V2000\n" % n)
     for record in centers:
         x, y, z = record
diff -r 3fc1eab2faa7 -r 166eefe0b40e test-data/select_points_output.sdf
--- a/test-data/select_points_output.sdf	Mon May 04 11:38:41 2020 +0000
+++ b/test-data/select_points_output.sdf	Thu May 21 14:51:19 2020 +0000
@@ -1,6 +1,6 @@
-Frankenstein_ligand
-Galaxy select_points_sdf tool
-
+Frankenstein ligand
+00000000000000000000 3D
+Created in Galaxy
  43  0  0  0  0  0  0  0  0  0999 V2000
     9.8790   -5.4960   26.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
     7.1910   -5.0190   26.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
diff -r 3fc1eab2faa7 -r 166eefe0b40e test-data/select_points_output_v3000.sdf
--- a/test-data/select_points_output_v3000.sdf	Mon May 04 11:38:41 2020 +0000
+++ b/test-data/select_points_output_v3000.sdf	Thu May 21 14:51:19 2020 +0000
@@ -1,6 +1,6 @@
-Frankenstein_ligand
-Galaxy select_points_sdf tool
-
+Frankenstein ligand
+00000000000000000000 3D
+Created in Galaxy
  43  0  0  0  0  0  0  0  0  0999 V2000
     9.8790   -5.4960   26.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
     7.1910   -5.0190   26.2290 C   0  0  0  0  0  0  0  0  0  0  0  0